ChemSpider 2D Image | (2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phospho ryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxybutanoyl]amino}-6-aminoheptanedioic acid | C35H55N7O26P2

(2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phospho ryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxybutanoyl]amino}-6-aminoheptanedioic acid

  • Molecular FormulaC35H55N7O26P2
  • Average mass1051.790 Da
  • Monoisotopic mass1051.267212 Da
  • ChemSpider ID4883466

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phospho ryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxybutanoyl]amino}-6-aminoheptandisäure [German] [ACD/IUPAC Name]
(2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phospho ryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxybutanoyl]amino}-6-aminoheptanedioic acid [ACD/IUPAC Name]
Acide (2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acétamido-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)p hosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxybutanoyl]amino}-6-aminoheptanedioïque [French] [ACD/IUPAC Name]
UAG-API
UDP-N-acetyl-α-D-muramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminoheptanedioic acid
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-diaminopimelic acid
  • Miscellaneous

    • Chemical Class:

      A UDP-<element>N</element>-acetylmuramoyl-<stereo>L</stereo>-alanyl-<stereo>D</stereo>-<locant>gamma</locant>-glutamyl-<stereo>meso</stereo>-2,6-diaminoheptanedioate in which the muramoyl moiety has < stereo>alpha</stereo>-configuration at its anomeric centre. ChEBI CHEBI:84805
      A UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate in which the muramoyl moiety has alpha-configuration at its anomeric centre. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84805, CHEBI:84805

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 222.1±0.4 cm3
#H bond acceptors: 33
#H bond donors: 16
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -6.67
ACD/LogD (pH 5.5): -13.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 534 Å2
Polarizability: 88.1±0.5 10-24cm3
Surface Tension: 99.7±5.0 dyne/cm
Molar Volume: 621.8±5.0 cm3

Click to predict properties on the Chemicalize site


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